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Chemical ID: 7028721
Chemical ID:
7028721
Name [?]:
N-(3-chloro-4-methyl-phenyl)-5-(2,5-dichlorophenyl)-furan-2-carboxamide
SMILES [?]:
Cc1ccc(cc1Cl)NC(=O)c2ccc(o2)c3cc(ccc3Cl)Cl
InChi [?]:
InChI=1/C18H12Cl3NO2/c1-10-2-4-12(9-15(10)21)22-18(23)17-7-6-16(24-17)13-8-11(19)3-5-14(13)20/h2-9H,1H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,3,20,4,21,14,13,18,6,2,19,5,17,22,7,15,12,10,24,23,8,9,11,16/rA:24nCCCCCCCClNCOCCCCOCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;d12;s13;d14;s12s15;s15;s17;d18;s19;d20;d17s21;s22;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H12Cl3NO2 |
All Atoms: | 36 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.1934 |
Area: | 576.733 |
Solvation: | -2.2249 |
Coulombic: | -33.066 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 380.652 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.74 |
LogP (Chemaxon): | 5.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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